Molecule
ID:78218
General Information
Molecular Formula
C₆H₃Cl₂N₃S
Molecular Mass
220.07912
Exact Mass
218.94247347
Charge
0
InChI
InChI=1S/C6H3Cl2N3S/c7-2-1-3(8)5-6(4(2)9)11-12-10-5/h1H,9H2
InChIKey
BHDCZIZWPKHDHA-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c2c(c1N)nsn2
Isomeric Smiles
n1c2c(cc(c(c2ns1)N)Cl)Cl
Calculated Properties
JChem
Acid pKa
15.033231
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.496038
LogD (pH = 7.4)
2.4960382
Log P
2.4960382
Molar Refractivity
50.8504
Polarizability
19.786375
Polar Surface Area
51.8
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...